2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

C21H13N3O5 — CID 56642261

IUPAC2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(-c3ccco3)cc(-c3cc(C(=O)O)ccn3)n2)c1
InChIInChI=1S/C21H13N3O5/c25-20(26)12-3-5-22-15(8-12)17-10-14(19-2-1-7-29-19)11-18(24-17)16-9-13(21(27)28)4-6-23-16/h1-11H,(H,25,26)(H,27,28)
InChIKeyYQJFIOXBTNZSBM-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.86
Rot. Bonds5

About 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 56642261) has the molecular formula C21H13N3O5 and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID56642261
Molecular FormulaC21H13N3O5
Molecular Weight387.35 g/mol
Exact Mass387.09
IUPAC Name2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(-c3ccco3)cc(-c3cc(C(=O)O)ccn3)n2)c1
InChIInChI=1S/C21H13N3O5/c25-20(26)12-3-5-22-15(8-12)17-10-14(19-2-1-7-29-19)11-18(24-17)16-9-13(21(27)28)4-6-23-16/h1-11H,(H,25,26)(H,27,28)
InChIKeyYQJFIOXBTNZSBM-UHFFFAOYSA-N
XLogP3.86
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 56642261) is 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(-c3ccco3)cc(-c3cc(C(=O)O)ccn3)n2)c1.
What is the InChIKey of 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is YQJFIOXBTNZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O5/c25-20(26)12-3-5-22-15(8-12)17-10-14(19-2-1-7-29-19)11-18(24-17)16-9-13(21(27)28)4-6-23-16/h1-11H,(H,25,26)(H,27,28).
What are the key properties of 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 387.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56642261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).